{ "property-id" "tag:staff@noreply.openkim.org,2014-04-15:property/configuration-cluster-relaxed" "instance-id" 1 "species" { "source-value" [ "Si" "Si" "Si" "Si" "Si" ] } "unrelaxed-configuration-positions" { "source-value" [ [ 0.8164278 0.1663691 0.8726527 ] [ 0.2293415 1.783801 2.502887 ] [ 2.371717 0.4239938 0.3261347 ] [ 1.905698 2.704881 0.8462502 ] [ 2.020767 2.181943 2.752956 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 8.164278e-11 1.663691e-11 8.726527e-11 ] [ 2.293415e-11 1.783801e-10 2.502887e-10 ] [ 2.371717e-10 4.239938e-11 3.261347e-11 ] [ 1.905698e-10 2.704881e-10 8.462502e-11 ] [ 2.020767e-10 2.181943e-10 2.752956e-10 ] ] } "unrelaxed-configuration-forces" { "source-value" [ [ -2.6014127 1.9950451 -0.0976409 ] [ -15.262965 -5.6103764 11.2021081 ] [ 4.826186 -0.1534676 -2.8150426 ] [ 8.5841146 2.3382829 -13.6149266 ] [ 4.4540772 1.430516 5.325502 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ -4.167922643330851e-09 3.196414642996193e-09 -1.564379685027306e-10 ] [ -2.445396588855981e-08 -8.988813976025036e-09 1.794775584936213e-08 ] [ 7.732402440537923e-09 -2.458822027960584e-10 -4.510195477434608e-09 ] [ 1.375326783569825e-08 3.746342226061758e-09 -2.181351727214506e-08 ] [ 7.136218415872145e-09 2.291939309763144e-09 8.532394868720268e-09 ] ] } "unrelaxed-potential-energy" { "source-value" -9.8927143 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -1.584987569829766e-18 } "relaxed-configuration-positions" { "source-value" [ [ 0.4169275 0.2357664 0.6982115 ] [ 0.1166354 1.6285899 2.6034167 ] [ 2.670174 0.2738061 -0.1323814 ] [ 2.0047757 2.3697893 0.8737414 ] [ 2.1354387 2.7530362 3.2578924 ] ] "source-unit" "angstrom" "si-unit" "m" "si-value" [ [ 4.169275e-11 2.357664e-11 6.982115e-11 ] [ 1.166354e-11 1.6285899e-10 2.6034167e-10 ] [ 2.670174e-10 2.738061e-11 -1.323814e-11 ] [ 2.0047757e-10 2.3697893e-10 8.737414e-11 ] [ 2.1354387e-10 2.7530362e-10 3.2578924e-10 ] ] } "relaxed-configuration-forces" { "source-value" [ [ 0.0001707 2.54e-05 4e-05 ] [ -9.38e-05 2.04e-05 -3.4e-06 ] [ -9.99e-05 2.9e-06 -1.45e-05 ] [ 9.2e-06 -2.47e-05 -8.26e-05 ] [ 1.38e-05 -2.4e-05 6.04e-05 ] ] "source-unit" "eV/angstrom" "si-unit" "kg m / s^2" "si-value" [ [ 2.734915514238e-13 4.06952865036e-14 6.408706535999999e-14 ] [ -1.502841682692e-13 3.26844033336e-14 -5.4474005556e-15 ] [ -1.600574457366e-13 4.6463122386e-15 -2.3231561193e-14 ] [ 1.47400250328e-14 -3.95737628598e-14 -1.323397899684e-13 ] [ 2.21100375492e-14 -3.8452239216e-14 9.677146869359998e-14 ] ] } "relaxed-potential-energy" { "source-value" -15.983578 "source-unit" "eV" "si-unit" "kg m^2 / s^2" "si-value" -2.560851519931645e-18 } }